6MJ5
Crystal structure of Tdp1 catalytic domain in complex with compound XZ519
Summary for 6MJ5
Entry DOI | 10.2210/pdb6mj5/pdb |
Descriptor | Tyrosyl-DNA phosphodiesterase 1, 1,2-ETHANEDIOL, 4-hydroxy-8-nitroquinoline-3-carboxylic acid, ... (4 entities in total) |
Functional Keywords | fragment based drug design, anti-cancer drug design, dna binding protein, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 104857.19 |
Authors | Lountos, G.T.,Zhao, X.Z.,Kiselev, E.,Tropea, J.E.,Needle, D.,Burke Jr., T.R.,Pommier, Y.,Waugh, D.S. (deposition date: 2018-09-20, release date: 2019-07-03, Last modification date: 2023-10-11) |
Primary citation | Lountos, G.T.,Zhao, X.Z.,Kiselev, E.,Tropea, J.E.,Needle, D.,Pommier, Y.,Burke, T.R.,Waugh, D.S. Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47:10134-10150, 2019 Cited by PubMed: 31199869DOI: 10.1093/nar/gkz515 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.853 Å) |
Structure validation
Download full validation report